1DHS

CRYSTAL STRUCTURE OF THE NAD COMPLEX OF HUMAN DEOXYHYPUSINE SYNTHASE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1996-07-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 4 21 2
Unit cell lengths	108.300, 108.300, 69.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.200
R-factor	0.153
Rwork	0.153
R-free	0.24200
Structure solution method	SIRAS
RMSD bond length	0.009
RMSD bond angle	23.802 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.074	0.253
Total number of observations	108771 *
Number of reflections	18479
<I/σ(I)>	21.2	3.1
Completeness [%]	86.1	41.9
Redundancy	5.9	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5	20 *	9.0 MG/ML PROTEIN IN 1.7M PHOSPHATE FINAL PH 4.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.50 (mg/ml)
2	1	drop	NAD	0.05 (M)
3	1	drop	1,7-diaminoheptane	0.05 (M)
4	1	drop	sodium potassium phosphate	0.85 (M)
5	1	drop	HEPES	50 (mM)
6	1	reservoir	sodium potassium phosphate	1.7 (M)
7	1	reservoir	HEPES	100 (mM)